3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol

C12H22N2OS — CID 111470620

IUPAC3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cnc(C)s1
InChIInChI=1S/C12H22N2OS/c1-3-4-11(5-6-15)7-13-8-12-9-14-10(2)16-12/h9,11,13,15H,3-8H2,1-2H3
InChIKeyPYKFYBWBTLCZML-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.34
Rot. Bonds8

About 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol

3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol (PubChem CID 111470620) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol
PubChem CID111470620
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cnc(C)s1
InChIInChI=1S/C12H22N2OS/c1-3-4-11(5-6-15)7-13-8-12-9-14-10(2)16-12/h9,11,13,15H,3-8H2,1-2H3
InChIKeyPYKFYBWBTLCZML-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[2-(2-hydroxyethyl)pentyl]-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111712697
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol
CID 103768725
N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847971
2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 61042812
3,3-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 112555963
3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
CID 60777388
2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol
CID 111470622
3,3,3-trifluoro-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]propanoic acid
CID 103243292
3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 113244969
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol (CID 111470620) is 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1cnc(C)s1.
What is the InChIKey of 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol?
The InChIKey is PYKFYBWBTLCZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-4-11(5-6-15)7-13-8-12-9-14-10(2)16-12/h9,11,13,15H,3-8H2,1-2H3.
What are the key properties of 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol?
3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 111470620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).